LMPK12060047
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    7.9873   10.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9873    9.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8685    9.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496    9.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496   10.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8685   11.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6308    9.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5118    9.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5118   10.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6308   11.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3929    9.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2741    9.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3929    8.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2741    7.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554    8.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554    9.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5118    8.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8685   12.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0247   12.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1811   12.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1811   11.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6309   13.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2741   10.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3929   11.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5118   11.5429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6308    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0364    7.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0364    6.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2741    6.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3931    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25  9  1  0  0  0  0
  9 26  1  1  0  0  0
  7 27  2  0  0  0  0
 15 28  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060047

> <COMMON_NAME>
Tephrosin

> <SYSTEMATIC_NAME>
13,13a-Dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one

> <FORMULA>
C23H22O7

> <MASS>
410.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AQBZCCQCDWNNJQ-AUSIDOKSSA-N

> <INCHI>
InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1

> <SMILES>
C12OC(C)(C)C=CC1=C1O[C@]3([H])COC4C=C(OC)C(OC)=CC=4[C@]3(O)C(=O)C1=CC=2

> <KEGG_ID>
C10535

> <HMDB_ID>
-

> <CHEBI_ID>
9442

> <ABBREVIATION>
-

> <CAYMAN_ID>
19840

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
114909

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1157238

> <CITATION>
-

$$$$